N-cyclohexyl-6-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethoxy)hexane-1-sulfonamide

C26H39N3O6S — CID 72736376

IUPACN-cyclohexyl-6-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethoxy)hexane-1-sulfonamide
SMILESO=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N(OCCN1CCOCC1)C1CCCCC1
InChIInChI=1S/C26H39N3O6S/c30-25-23-12-6-7-13-24(23)26(31)28(25)14-8-1-2-9-21-36(32,33)29(22-10-4-3-5-11-22)35-20-17-27-15-18-34-19-16-27/h6-7,12-13,22H,1-5,8-11,14-21H2
InChIKeyIYVOICJNXVPGQV-UHFFFAOYSA-N
MW521.68 g/mol
LogP3.07
Rot. Bonds13

About N-cyclohexyl-6-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethoxy)hexane-1-sulfonamide

N-cyclohexyl-6-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethoxy)hexane-1-sulfonamide (PubChem CID 72736376) has the molecular formula C26H39N3O6S and a molecular weight of 521.68 g/mol. Its IUPAC name is N-cyclohexyl-6-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethoxy)hexane-1-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-6-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethoxy)hexane-1-sulfonamide
PubChem CID72736376
Molecular FormulaC26H39N3O6S
Molecular Weight521.68 g/mol
Exact Mass521.26
IUPAC NameN-cyclohexyl-6-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethoxy)hexane-1-sulfonamide
SMILESO=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N(OCCN1CCOCC1)C1CCCCC1
InChIInChI=1S/C26H39N3O6S/c30-25-23-12-6-7-13-24(23)26(31)28(25)14-8-1-2-9-21-36(32,33)29(22-10-4-3-5-11-22)35-20-17-27-15-18-34-19-16-27/h6-7,12-13,22H,1-5,8-11,14-21H2
InChIKeyIYVOICJNXVPGQV-UHFFFAOYSA-N
XLogP3.07
TPSA96.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.68
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-cyclohexyl-6-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethoxy)hexane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(12-morpholin-4-yldodecyl)isoindole-1,3-dione
CID 56974133
1-[6-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-(pyridin-3-ylmethyl)urea
CID 46183166
(E)-N-[5-[cyclopentyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylprop-2-enamide
CID 46233812
1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108889443
5-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-methylpentane-1-sulfonamide
CID 138018346
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108874905
N-[1-[3-(1,3-dioxoisoindol-2-yl)propyl]piperidin-4-yl]-N-methylmethanesulfonamide
CID 48736556
2-(6-morpholin-4-yl-6-oxohexyl)isoindole-1,3-dione
CID 3620620
1-cyclohexyl-3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methylurea
CID 108889348
2-(8-bromooctyl)isoindole-1,3-dione;2-(8-piperidin-1-yloctyl)isoindole-1,3-dione
CID 19933508
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 108874898
2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione
CID 12612173

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethoxy)hexane-1-sulfonamide?
The IUPAC name of N-cyclohexyl-6-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethoxy)hexane-1-sulfonamide (CID 72736376) is N-cyclohexyl-6-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethoxy)hexane-1-sulfonamide.
What is the SMILES notation for N-cyclohexyl-6-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethoxy)hexane-1-sulfonamide?
The canonical SMILES for N-cyclohexyl-6-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethoxy)hexane-1-sulfonamide is O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N(OCCN1CCOCC1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-6-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethoxy)hexane-1-sulfonamide?
The InChIKey is IYVOICJNXVPGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N3O6S/c30-25-23-12-6-7-13-24(23)26(31)28(25)14-8-1-2-9-21-36(32,33)29(22-10-4-3-5-11-22)35-20-17-27-15-18-34-19-16-27/h6-7,12-13,22H,1-5,8-11,14-21H2.
What are the key properties of N-cyclohexyl-6-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethoxy)hexane-1-sulfonamide?
N-cyclohexyl-6-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethoxy)hexane-1-sulfonamide has a molecular weight of 521.68 g/mol, XLogP of 3.07, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethoxy)hexane-1-sulfonamide is sourced from PubChem (CID 72736376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).